2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione

C19H26N2O3 — CID 20633738

IUPAC2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione
SMILESCC(C)(N)C(=O)CCC(N1C(=O)c2ccccc2C1=O)C(C)(C)C
InChIInChI=1S/C19H26N2O3/c1-18(2,3)14(10-11-15(22)19(4,5)20)21-16(23)12-8-6-7-9-13(12)17(21)24/h6-9,14H,10-11,20H2,1-5H3
InChIKeyALFZWENOCXGKFR-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.78
Rot. Bonds5

About 2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione

2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione (PubChem CID 20633738) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione
PubChem CID20633738
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione
SMILESCC(C)(N)C(=O)CCC(N1C(=O)c2ccccc2C1=O)C(C)(C)C
InChIInChI=1S/C19H26N2O3/c1-18(2,3)14(10-11-15(22)19(4,5)20)21-16(23)12-8-6-7-9-13(12)17(21)24/h6-9,14H,10-11,20H2,1-5H3
InChIKeyALFZWENOCXGKFR-UHFFFAOYSA-N
XLogP2.78
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione with MolForge

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Related Compounds

6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane
CID 158816585
2-(4-amino-1,1,1-trifluorobutan-2-yl)isoindole-1,3-dione
CID 43753207
sodium 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 19205516
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-hydroxybutanoate
CID 11139950
tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate);ethyl acetate;bis(rhodium(2+))
CID 44630527
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 15513937
2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid
CID 130960815
(2S,4S)-2-amino-4-(1,3-dioxoisoindol-2-yl)-2-ethyl-3-oxohexanoyl chloride
CID 139910601
propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 75674147
5-(1,3-dioxoisoindol-2-yl)hexanoic acid
CID 15847422
2-(2-oxoheptan-4-yl)isoindole-1,3-dione
CID 11196218
2-(2-hydroxypropan-2-yl)isoindole-1,3-dione
CID 10035842

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione (CID 20633738) is 2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione is CC(C)(N)C(=O)CCC(N1C(=O)c2ccccc2C1=O)C(C)(C)C.
What is the InChIKey of 2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione?
The InChIKey is ALFZWENOCXGKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-18(2,3)14(10-11-15(22)19(4,5)20)21-16(23)12-8-6-7-9-13(12)17(21)24/h6-9,14H,10-11,20H2,1-5H3.
What are the key properties of 2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione?
2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione has a molecular weight of 330.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 20633738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).